Commits

Branch selector

main

User selector

All users

All time

Commit history

Commits on Mar 5, 2025

• Merge pull request #75 from ccdc-opensource/CoRE-MOF

  Show description for 7230863
  bardwell-ccdc

  authored
  7230863

  Copy full SHA for 7230863

• Corrected typo NO_JIRA

  bardwell-ccdc

  committed
  25bb906

  Copy full SHA for 25bb906

• Added PACMAN requirement

  bardwell-ccdc

  committed
  ea7573f

  Copy full SHA for ea7573f

• Corrected grammar

  bardwell-ccdc

  committed
  ac313ca

  Copy full SHA for ac313ca

• Improved readme

  bardwell-ccdc

  committed
  a0edafa

  Copy full SHA for a0edafa

• Correct whitespace

  bardwell-ccdc

  committed
  9c21b76

  Copy full SHA for 9c21b76

• Initial check-in of CoRE-MOF notebook

  bardwell-ccdc

  committed
  caf074a

  Copy full SHA for caf074a

Commits on Jan 9, 2025

• Merge pull request #73 from ccdc-opensource/jira_sci_1804_hbp_class

  Show description for a0876f5
  pmbulit

  authored
  a0876f5

  Copy full SHA for a0876f5

• Moved hbp calculator into class SCI-1804

  pmbulit

  committed
  cdae933

  Copy full SHA for cdae933

Commits on Dec 18, 2024

• Merge pull request #72 from ccdc-opensource/jira_ppm_192_script_access

  Show description for 2435e41
  IsaacSugden

  authored
  2435e41

  Copy full SHA for 2435e41

• unused imports PPM-192

  IsaacSugden

  committed
  d6e98ab

  Copy full SHA for d6e98ab

• Siongs suggested changes PPM-192

  IsaacSugden

  committed
  4735bda

  Copy full SHA for 4735bda

• Handling edge cases, and making a GCD file PPM-192

  IsaacSugden

  committed
  bb5c6ed

  Copy full SHA for bb5c6ed

• Updated .github/workflows/common_ccdc_status_checks.yml NO_JIRA

  ccdc-github-admin

  committed
  4bc9d7b

  Copy full SHA for 4bc9d7b

Commits on Dec 17, 2024

• reviewdog suggested changes PPM-192

  IsaacSugden

  committed
  0e5aa6d

  Copy full SHA for 0e5aa6d

• adding initial set of scripts PPM-192

  IsaacSugden

  committed
  d06518a

  Copy full SHA for d06518a

Commits on Nov 22, 2024

• Merge pull request #71 from ccdc-opensource/CRingroseCCDC-patch-1

  Show description for 59eb5c9
  CRingroseCCDC

  authored
  59eb5c9

  Copy full SHA for 59eb5c9

• Update description.md

  CRingroseCCDC

  authored
  7f166f8

  Copy full SHA for 7f166f8

• Update conformer_demo.py

  CRingroseCCDC

  authored
  0732e72

  Copy full SHA for 0732e72

• Update scripts/conformer_demo/description.md

  Show description for f1a31f5
  

  CRingroseCCDC

  and

  github-actions[bot]

  authored
  f1a31f5

  Copy full SHA for f1a31f5

• Added conformer generator example workflow

  Show description for 58be3d3
  CRingroseCCDC

  authored
  58be3d3

  Copy full SHA for 58be3d3

Commits on Nov 13, 2024

• Merge pull request #70 from ccdc-opensource/training_exercise

  Show description for f041769
  jasonccole

  authored
  f041769

  Copy full SHA for f041769

• remove outputs (NO_JIRA)

  jasonccole

  committed
  e9392d6

  Copy full SHA for e9392d6

• build a simple google translate example around simple_report.py (NO_JIRA)

  jasonccole

  committed
  7929bd4

  Copy full SHA for 7929bd4

Commits on Nov 8, 2024

• Updated .github/workflows/common_ccdc_status_checks.yml NO_JIRA

  ccdc-github-admin

  committed
  51ff6c8

  Copy full SHA for 51ff6c8

Commits on Oct 8, 2024

• Merge pull request #69 from ccdc-opensource/surface_charge_script

  Show description for 7ab5791
  Alex-AMC

  authored
  7ab5791

  Copy full SHA for 7ab5791

• Updated ReadMe SCI-1404

  Alex-AMC

  committed
  89f1f8b

  Copy full SHA for 89f1f8b

Commits on Oct 3, 2024

• Changes based on PR SCI-1404

  Alex-AMC

  committed
  0ed988f

  Copy full SHA for 0ed988f

Commits on Oct 1, 2024

• Added Topology Surface Charge SCI-1404

  Alex-AMC

  committed
  2279f8e

  Copy full SHA for 2279f8e

Commits on Aug 28, 2024

• Merge pull request #68 from MilitaoLucas/lucasMilitao

  Show description for 4929a81
  pmbulit

  authored
  4929a81

  Copy full SHA for 4929a81

Commits on Aug 22, 2024

• This makes it so you can add a new coformer and run it out of order. I think that it is safer this way as it doesn't depend on alphabetical order.

  MilitaoLucas

  committed
  ae51e7f

  Copy full SHA for ae51e7f

Commits on Aug 20, 2024

• Merge pull request #67 from ccdc-opensource/surface_charge_script

  Show description for 8bfe7f6
  Alex-AMC

  authored
  8bfe7f6

  Copy full SHA for 8bfe7f6

• Added description of Surface charge SCI-1315

  Alex-AMC

  committed
  51b4344

  Copy full SHA for 51b4344

• Removed underscore from file name as no longer required SCI-1315

  Alex-AMC

  committed
  dda2b9e

  Copy full SHA for dda2b9e

• SCI-1396 reviewed and modified .md file

  maloney-ccdc

  committed
  9054c55

  Copy full SHA for 9054c55